CID 39870590

1-(3-aminophenyl)-3-cyclopropyl-4,5-dihydroxy-2,3-dihydro-1h-imidazol-2-one

Structural Information

Molecular Formula
C12H13N3O3
SMILES
C1CC1N2C(=C(N(C2=O)C3=CC=CC(=C3)N)O)O
InChI
InChI=1S/C12H13N3O3/c13-7-2-1-3-9(6-7)15-11(17)10(16)14(12(15)18)8-4-5-8/h1-3,6,8,16-17H,4-5,13H2
InChIKey
LETUTZOWEYKIPP-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-3-cyclopropyl-4,5-dihydroxyimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.09569 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.102966 153.2
[M+Na]+ 270.084908 165.3
[M-H]- 246.088414 159.6
[M+NH4]+ 265.129513 163.8
[M+K]+ 286.058848 158.6
[M+H-H2O]+ 230.092950 146.2
[M+HCOO]- 292.093891 175.0
[M+CH3COO]- 306.109541 193.8
[M+Na-2H]- 268.070356 155.2
[M]+ 247.09514142 154.9
[M]- 247.09623858 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe